Molecular Dynamics in Materials ScienceExamples of Molecular Dynamics Simulations in Materials Science Simulation of Chain Dynamics in PolymersSimulation of Brittle FractureSimulation of Wafer Bonded Silicon InterfacesSimulation of Void Formation during Thin Film DepositionSimulation of Interaction of Dislocations ...
Shell script to prepare protein PDBs for GROMACS molecular dynamics simulations, with SLURM script included to run md with hpc hpc pdb molecular-dynamics slurm protein molecular-dynamics-simulation shell-script gromacs Updated Oct 7, 2024 Shell JPatrickBrian / Redstone-Engineering Star 1 Code Is...
Introduction to practical MD Simulation in GROMACS 噼哩哔哩啪啦吧 184 1 我们只剩6天啦!NASA探测到一个巨大的物体正在向地球发射信息。 空间科学探索室 8080 13 Running LAMMPS on cloud using gpu and mpi _ Google Colaboratory (Free) 噼哩哔哩啪啦吧 83 0 ...
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Chapter 1-Fundamentals of classical molecular dynamics simulation Pages 1-40 Purchase View chapter Select Chapter 2 - Potential energy functions Book chapterAbstract only Chapter 2-Potential energy functions Pages 41-65 Purchase View chapter Select Chapter 3 - Control techniques of molecular dynamics simu...
1. 分子动力学模拟 分子动力学模拟(Molecular dynamics simulation)简称为MD模拟,其基本模拟过程是在一定系综及已知分子位能函数的条件下, … emuch.net|基于74个网页 2. 分子动力模拟 其利用分子动力模拟(Molecular Dynamics Simulation)的技巧,从微观粒子间之运动行为了解其微观的释放行为并探讨释放 … ...
Wiley (全网免费下载) Wiley dx.doi.org ResearchGate deepdyve.com 查看更多 相似文献 引证文献Molecular dynamics simulation, elementary methods. ByJ. M. Haile, Wiley, Chichester 1992, 489 pp., hardcover, 47.50, ISBN 0‐471‐81966‐2 WB Paul - 《Advanced Materials》 被引量: 0发表: 1993年 Trans...
对于一名理工科刚入组的小白来说,模拟似乎是我们都要经历学习的一种手段。尤其是涉及化工、能源、材料等相关领域,目前不论是做CFD计算流体仿真还是Molecular Simulation微观分子模拟都是较为常见的手段,不同的是两种方法的出发点和侧重点是不同的。就我自身情况而言,我刚进组两种模拟都不会(因为本科期间学的是建环专...
Molecular Dynamics (MD) simulations of uniaxial tension at nanolevel have been carried out at a constant rate of loading (500ms−1) on some single-crystal cubic metals, both FCC (Al, Cu, and Ni) and BCC (Fe, Cr, and W) to investigate the nature of deformation and fracture. Failure ...
Chiessi, E.; Paradossi, G. Influence of Tacticity on Hydrophobicity of Poly(N-Isopropylacrylamide): A Single Chain Molecular Dynamics Simulation Study.J. Phys. Chem. B2016,120, 3765–3776. [Google Scholar] [CrossRef] [PubMed] Winnik, F.M. Fluorescence Studies of Aqueous Solutions of Poly...